CID 3357810

4-(2-chlorophenyl)-1,1-dimethylsemicarbazide

Structural Information

Molecular Formula
C9H12ClN3O
SMILES
CN(C)NC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C9H12ClN3O/c1-13(2)12-9(14)11-8-6-4-3-5-7(8)10/h3-6H,1-2H3,(H2,11,12,14)
InChIKey
GZIBGFOVMWPLKI-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(dimethylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0669 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07418 145.5
[M+Na]+ 236.05612 156.2
[M+NH4]+ 231.10072 153.6
[M+K]+ 252.03006 150.3
[M-H]- 212.05962 148.9
[M+Na-2H]- 234.04157 152.3
[M]+ 213.06635 148.0
[M]- 213.06745 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.